#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu s ALA 2 N 0.00 -2.17 0.00 3.04 0.00 -1.26 -5.14 121.76 116.23 1yuu s ALA 2 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1yuu s ALA 2 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1yuu s ALA 2 CO 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 175.76 174.67 1yuu n ALA 3 N -0.65 0.00 -2.71 0.00 0.00 -1.26 -5.10 120.51 110.79 1yuu n ALA 3 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 1yuu n ALA 3 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1yuu s GLU 4 N -0.00 4.38 0.64 0.00 -1.05 -1.26 -5.07 118.70 116.33 1yuu s GLU 4 Ca 0.00 0.73 -0.13 0.00 -0.15 0.00 0.00 54.97 55.42 1yuu s GLU 4 Cb 0.00 -3.47 -0.02 0.00 -0.44 0.00 0.00 34.13 30.20 1yuu s GLU 4 CO 0.00 0.04 1.04 -1.25 0.95 0.00 0.00 175.26 176.04 1yuu s PRO 5 N 0.94 3.28 0.27 -4.83 0.04 -1.26 -5.09 135.00 128.35 1yuu s PRO 5 Ca 0.33 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.38 1yuu s PRO 5 Cb -0.17 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1yuu s PRO 5 CO 0.15 -0.83 -0.00 -0.51 0.04 0.00 0.00 177.00 175.85 1yuu s LEU 6 N -5.07 2.27 1.05 -3.56 1.43 -1.26 -5.16 118.68 108.39 1yuu s LEU 6 Ca 0.59 -1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 1yuu s LEU 6 Cb -0.13 -0.41 0.22 0.00 0.03 0.00 0.00 46.19 45.89 1yuu s LEU 6 CO 0.48 -0.49 1.15 0.28 0.23 0.00 0.00 176.35 178.00 1yuu s THR 7 N -3.26 1.84 0.10 5.49 -1.32 -1.26 -4.74 115.64 112.49 1yuu s THR 7 Ca 0.31 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.63 1yuu s THR 7 Cb 0.06 -2.65 -0.07 0.00 -1.51 0.00 0.00 72.50 68.33 1yuu s THR 7 CO 0.12 0.00 1.47 -0.33 -2.21 0.00 0.00 174.62 173.67 1yuu h GLU 8 N -2.03 0.63 -0.79 7.08 5.08 -2.01 0.15 114.58 122.68 1yuu h GLU 8 Ca -0.48 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 57.60 1yuu h GLU 8 Cb 1.30 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1yuu h GLU 8 CO 0.46 0.85 0.46 -0.07 -1.00 0.00 0.00 179.01 179.71 1yuu h LEU 9 N 0.39 0.96 -0.07 1.33 4.07 -1.99 0.33 115.31 120.33 1yuu h LEU 9 Ca 0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1yuu h LEU 9 Cb 0.65 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1yuu h LEU 9 CO 0.04 0.76 0.03 -0.33 -1.08 0.00 0.00 178.44 177.86 1yuu h GLU 10 N 1.09 0.11 0.14 1.13 5.08 -1.84 -2.04 114.58 118.25 1yuu h GLU 10 Ca 0.28 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1yuu h GLU 10 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1yuu h GLU 10 CO -0.05 0.20 -0.16 1.05 -1.00 0.00 0.00 179.01 179.05 1yuu h GLU 11 N -0.01 -0.33 -0.85 2.33 -0.00 -0.40 -1.83 114.58 113.49 1yuu h GLU 11 Ca 0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.39 1yuu h GLU 11 Cb 0.13 0.08 -0.04 0.00 -0.00 0.00 0.00 28.75 28.91 1yuu h GLU 11 CO -0.00 -0.22 0.46 0.66 -0.00 0.00 0.00 179.01 179.90 1yuu h SER 12 N -0.34 1.06 -0.53 3.06 4.64 -0.87 0.18 113.55 120.75 1yuu h SER 12 Ca 0.01 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 1yuu h SER 12 Cb 0.34 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1yuu h SER 12 CO -0.06 0.86 -0.11 0.16 -0.87 0.00 0.00 176.83 176.82 1yuu h ILE 13 N 1.18 1.27 0.16 0.95 -0.00 -1.29 -1.67 117.51 118.11 1yuu h ILE 13 Ca 0.30 -1.26 -0.01 0.00 -0.00 0.00 0.00 64.86 63.89 1yuu h ILE 13 Cb 0.04 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1yuu h ILE 13 CO -0.05 0.45 -0.08 -0.08 -0.00 0.00 0.00 178.15 178.39 1yuu h GLU 14 N 0.90 -0.21 -0.85 0.16 4.81 -0.32 -0.45 114.58 118.62 1yuu h GLU 14 Ca 0.14 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.59 1yuu h GLU 14 Cb 0.67 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 29.94 1yuu h GLU 14 CO 0.05 -0.10 0.00 1.15 -0.73 0.00 0.00 179.01 179.38 1yuu h THR 15 N -0.26 0.22 0.01 0.32 2.02 -0.52 0.21 112.91 114.92 1yuu h THR 15 Ca -0.02 -0.02 -0.22 0.00 0.77 0.00 0.00 66.41 66.91 1yuu h THR 15 Cb 0.20 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1yuu h THR 15 CO 0.04 0.01 -0.96 -0.37 0.37 0.00 0.00 175.52 174.61 1yuu h VAL 16 N 0.07 1.43 -0.73 3.16 -1.51 -1.10 -2.59 116.25 114.98 1yuu h VAL 16 Ca 0.48 -2.54 0.01 0.00 -1.23 0.00 0.00 66.70 63.41 1yuu h VAL 16 Cb 0.89 2.48 -0.04 0.00 -2.13 0.00 0.00 31.29 32.49 1yuu h VAL 16 CO -0.77 0.75 0.48 0.58 -1.23 0.00 0.00 177.57 177.39 1yuu h VAL 17 N 0.19 1.19 -0.08 7.19 2.07 0.71 0.21 116.25 127.72 1yuu h VAL 17 Ca -0.08 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1yuu h VAL 17 Cb 1.60 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1yuu h VAL 17 CO 0.16 0.18 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1yuu h THR 18 N 0.99 1.08 -0.79 2.57 1.03 -0.69 -2.27 112.91 114.83 1yuu h THR 18 Ca 0.27 -0.24 0.13 0.00 -0.01 0.00 0.00 66.41 66.57 1yuu h THR 18 Cb -0.11 1.09 -0.09 0.00 -1.07 0.00 0.00 68.15 67.97 1yuu h THR 18 CO -0.06 0.07 0.38 0.74 -0.01 0.00 0.00 175.52 176.64 1yuu h THR 19 N 0.04 0.73 -0.27 0.00 2.02 -1.04 0.10 112.91 114.50 1yuu h THR 19 Ca 0.03 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1yuu h THR 19 Cb 0.08 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 66.53 1yuu h THR 19 CO -0.00 0.10 -0.43 0.15 0.37 0.00 0.00 175.52 175.71 1yuu h PHE 20 N 0.57 -1.25 -0.83 3.16 3.04 -0.20 0.30 116.94 121.72 1yuu h PHE 20 Ca 0.42 0.06 0.02 0.00 3.98 0.00 0.00 57.97 62.45 1yuu h PHE 20 Cb 0.58 0.58 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 1yuu h PHE 20 CO -0.12 -0.46 0.55 0.74 -2.02 0.00 0.00 178.31 177.00 1yuu h PHE 21 N -0.41 1.03 -0.75 0.41 0.04 -0.60 0.18 116.94 116.84 1yuu h PHE 21 Ca 0.10 0.03 0.12 0.00 2.80 0.00 0.00 57.97 61.02 1yuu h PHE 21 Cb 0.60 -0.35 -0.08 0.00 2.20 0.00 0.00 35.95 38.33 1yuu h PHE 21 CO -0.56 0.63 0.35 1.15 -0.60 0.00 0.00 178.31 179.28 1yuu h THR 22 N 1.10 0.77 0.16 -1.55 2.02 0.54 -2.53 112.91 113.42 1yuu h THR 22 Ca 0.31 -0.19 -0.24 0.00 0.77 0.00 0.00 66.41 67.07 1yuu h THR 22 Cb -0.09 0.16 0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1yuu h THR 22 CO -0.08 0.10 -1.09 2.19 0.37 0.00 0.00 175.52 177.01 1yuu h PHE 23 N 0.56 0.60 0.00 3.16 -5.15 -0.64 -3.38 116.94 112.09 1yuu h PHE 23 Ca 0.39 -0.44 -0.00 0.00 -0.20 0.00 0.00 57.97 57.72 1yuu h PHE 23 Cb 0.49 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.64 1yuu h PHE 23 CO -0.12 1.42 -0.01 0.00 -2.00 0.00 0.00 178.31 177.60 1yuu h ALA 24 N 0.06 1.05 0.00 12.09 0.00 -0.47 0.30 119.26 132.30 1yuu h ALA 24 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1yuu h ALA 24 Cb 1.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1yuu h ALA 24 CO 0.15 0.01 0.00 0.07 0.00 0.00 0.00 179.25 179.49 1yuu h ARG 25 N 0.00 0.00 0.01 0.00 -0.00 -1.64 -3.06 114.38 109.69 1yuu h ARG 25 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 60.01 1yuu h ARG 25 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.08 1yuu h ARG 25 CO 0.00 0.00 -0.46 0.37 -0.00 0.00 0.00 179.97 179.88 1yuu h GLN 26 N 0.00 -0.59 -5.52 0.08 5.75 -1.18 -3.44 115.11 110.21 1yuu h GLN 26 Ca 0.00 0.04 -0.61 0.00 -0.15 0.00 0.00 58.65 57.93 1yuu h GLN 26 Cb 0.37 0.13 -0.13 0.00 1.07 0.00 0.00 27.48 28.92 1yuu h GLN 26 CO 0.00 -0.40 -0.59 -1.21 -2.65 0.00 0.00 178.83 173.98 1yuu s GLU 27 N -5.85 1.93 0.00 1.69 2.02 -1.26 -5.05 118.70 112.18 1yuu s GLU 27 Ca -0.16 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.72 1yuu s GLU 27 Cb 0.08 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1yuu s GLU 27 CO 0.63 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1yuu n GLY 28 N -0.95 0.00 1.97 -1.39 0.00 -1.26 -4.45 105.19 99.11 1yuu n GLY 28 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1yuu n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yuu n ARG 29 N 0.00 -3.65 -0.15 1.61 1.74 -1.26 -4.39 116.66 110.56 1yuu n ARG 29 Ca 0.00 2.80 -0.04 0.00 -0.77 0.00 0.00 57.85 59.84 1yuu n ARG 29 Cb 0.00 -3.51 -0.00 0.00 -1.02 0.00 0.00 32.46 27.93 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yuu n LYS 30 N 1.29 0.41 0.14 5.56 2.85 -1.16 -2.44 118.16 124.81 1yuu n LYS 30 Ca -0.02 -0.69 0.00 0.00 -1.05 0.00 0.00 58.31 56.56 1yuu n LYS 30 Cb 0.03 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 1yuu n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yuu n ASP 31 N 4.83 -2.57 -4.66 -5.58 -0.08 -1.26 -4.88 116.55 102.35 1yuu n ASP 31 Ca 0.09 0.65 -0.41 0.00 -1.51 0.00 0.00 54.79 53.61 1yuu n ASP 31 Cb 0.03 2.55 -0.04 0.00 2.34 0.00 0.00 41.12 45.99 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1yuu s SER 32 N -2.00 6.90 0.35 1.67 1.04 -1.02 -4.37 113.70 116.27 1yuu s SER 32 Ca 0.00 1.11 -0.05 0.00 0.48 0.00 0.00 55.95 57.49 1yuu s SER 32 Cb 0.00 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 1yuu s SER 32 CO 0.00 -0.42 0.63 -0.76 0.98 0.00 0.00 173.24 173.67 1yuu s LEU 33 N 2.30 3.94 0.35 2.42 2.01 -0.04 -4.68 118.68 124.98 1yuu s LEU 33 Ca 0.37 0.77 -0.08 0.00 0.01 0.00 0.00 54.13 55.20 1yuu s LEU 33 Cb -0.16 -3.63 0.02 0.00 0.01 0.00 0.00 46.19 42.43 1yuu s LEU 33 CO 0.11 -0.31 0.58 -0.55 1.01 0.00 0.00 176.35 177.19 1yuu s SER 34 N -3.49 0.54 0.08 2.29 0.15 -1.26 -0.48 113.70 111.54 1yuu s SER 34 Ca 0.45 -1.33 -0.16 0.00 0.70 0.00 0.00 55.95 55.61 1yuu s SER 34 Cb -0.10 0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1yuu s SER 34 CO 0.34 -1.42 1.28 1.33 1.20 0.00 0.00 173.24 175.97 1yuu n VAL 35 N -0.54 -0.36 0.52 4.45 0.24 -1.26 -0.33 118.33 121.04 1yuu n VAL 35 Ca -0.02 1.98 -0.20 0.00 -2.04 0.00 0.00 64.34 64.05 1yuu n VAL 35 Cb 0.61 -2.51 -0.10 0.00 -1.47 0.00 0.00 33.84 30.37 1yuu n VAL 35 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1yuu h ASN 36 N 0.00 -1.11 -0.94 -1.34 -1.24 -1.98 0.14 115.58 109.10 1yuu h ASN 36 Ca 0.08 0.04 0.16 0.00 0.71 0.00 0.00 56.30 57.30 1yuu h ASN 36 Cb 0.21 0.29 -0.16 0.00 0.73 0.00 0.00 38.32 39.39 1yuu h ASN 36 CO -0.49 -0.78 -0.31 1.21 -1.29 0.00 0.00 177.43 175.77 1yuu n GLU 37 N -5.59 -0.16 0.09 6.67 2.13 -1.05 -0.38 120.64 122.35 1yuu n GLU 37 Ca -0.16 1.45 -0.13 0.00 0.66 0.00 0.00 57.16 58.98 1yuu n GLU 37 Cb 0.52 -2.16 -0.08 0.00 0.27 0.00 0.00 31.44 29.98 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1yuu h PHE 38 N 0.00 -0.18 -0.69 4.31 3.04 -0.52 -2.72 116.94 120.18 1yuu h PHE 38 Ca 0.38 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.45 1yuu h PHE 38 Cb 0.62 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 39.10 1yuu h PHE 38 CO -0.78 0.05 0.27 -0.22 -2.02 0.00 0.00 178.31 175.61 1yuu h LYS 39 N -0.39 0.42 -0.90 1.11 3.64 0.17 0.67 116.57 121.29 1yuu h LYS 39 Ca -0.02 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1yuu h LYS 39 Cb 0.31 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 1yuu h LYS 39 CO 0.03 0.28 0.53 0.93 -2.27 0.00 0.00 179.45 178.95 1yuu h GLU 40 N 0.43 0.81 -0.02 1.90 5.08 -0.58 0.93 114.58 123.14 1yuu h GLU 40 Ca 0.37 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1yuu h GLU 40 Cb 0.51 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1yuu h GLU 40 CO -0.36 0.54 0.00 1.25 -1.00 0.00 0.00 179.01 179.44 1yuu h LEU 41 N 0.84 0.03 0.21 1.33 5.85 -0.57 0.11 115.31 123.10 1yuu h LEU 41 Ca 0.45 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1yuu h LEU 41 Cb 0.49 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1yuu h LEU 41 CO -0.28 0.26 -0.10 -0.37 -0.34 0.00 0.00 178.44 177.60 1yuu h VAL 42 N -0.20 0.88 -0.19 1.05 -1.51 -1.03 0.51 116.25 115.76 1yuu h VAL 42 Ca 0.01 -0.57 0.05 0.00 -1.23 0.00 0.00 66.70 64.96 1yuu h VAL 42 Cb 0.24 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 30.54 1yuu h VAL 42 CO 0.00 0.13 -0.24 0.74 -1.23 0.00 0.00 177.57 176.97 1yuu h THR 43 N -0.57 0.42 0.08 7.19 2.02 -0.84 0.38 112.91 121.59 1yuu h THR 43 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1yuu h THR 43 Cb 0.42 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1yuu h THR 43 CO 0.05 0.00 -0.04 -0.61 0.37 0.00 0.00 175.52 175.29 1yuu h GLN 44 N -0.27 -0.10 0.07 6.66 4.15 -0.73 -3.39 115.11 121.50 1yuu h GLN 44 Ca 0.12 0.01 -0.29 0.00 0.77 0.00 0.00 58.65 59.26 1yuu h GLN 44 Cb 0.45 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1yuu h GLN 44 CO -0.35 0.45 -1.52 1.96 -1.93 0.00 0.00 178.83 177.45 1yuu h GLN 45 N -0.88 0.15 -4.11 1.69 7.50 -0.93 -3.44 115.11 115.09 1yuu h GLN 45 Ca -0.01 -0.25 -0.75 0.00 0.50 0.00 0.00 58.65 58.14 1yuu h GLN 45 Cb 0.60 0.09 -0.27 0.00 0.05 0.00 0.00 27.48 27.95 1yuu h GLN 45 CO 0.02 0.95 -0.25 -0.51 -1.50 0.00 0.00 178.83 177.54 1yuu s LEU 46 N -6.72 6.04 0.14 1.46 1.43 0.12 -4.94 118.68 116.20 1yuu s LEU 46 Ca -0.07 -2.00 -0.10 0.00 -1.03 0.00 0.00 54.13 50.93 1yuu s LEU 46 Cb 0.08 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1yuu s LEU 46 CO 0.83 -0.74 1.42 1.55 0.23 0.00 0.00 176.35 179.65 1yuu h PRO 47 N 8.50 0.81 0.00 1.29 0.13 -1.85 -3.42 132.00 137.46 1yuu h PRO 47 Ca -0.20 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1yuu h PRO 47 Cb 1.08 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1yuu h PRO 47 CO 0.92 1.15 0.00 0.72 -0.23 0.00 0.00 178.00 180.56 1yuu n HIS 48 N -3.99 0.00 0.04 1.56 8.25 -1.26 -4.91 115.22 114.91 1yuu n HIS 48 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1yuu n HIS 48 Cb 0.63 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.73 1yuu n HIS 48 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1yuu h LEU 49 N 0.00 -0.10 -8.20 2.41 5.85 -1.97 -3.33 115.31 109.98 1yuu h LEU 49 Ca 0.00 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 1yuu h LEU 49 Cb 0.00 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 40.87 1yuu h LEU 49 CO 0.00 -0.05 0.22 -0.76 -0.34 0.00 0.00 178.44 177.51 1yuu s LEU 50 N -4.67 5.11 1.15 2.25 1.43 -1.26 -4.88 118.68 117.81 1yuu s LEU 50 Ca -0.02 -1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 51.63 1yuu s LEU 50 Cb 0.00 -2.34 0.26 0.00 0.03 0.00 0.00 46.19 44.14 1yuu s LEU 50 CO 0.05 -1.18 1.09 -0.54 0.23 0.00 0.00 176.35 176.00 1yuu s LYS 51 N 3.03 -0.79 -1.20 1.70 1.02 -1.25 -4.32 119.74 117.92 1yuu s LYS 51 Ca 0.14 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.28 1yuu s LYS 51 Cb -0.22 -1.63 -0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1yuu s LYS 51 CO 0.08 -3.47 0.97 -3.47 -0.92 0.00 0.00 175.35 168.54 1yuu n ASP 52 N -4.63 -2.19 -0.13 2.83 2.03 -1.26 -4.89 116.55 108.31 1yuu n ASP 52 Ca 0.10 -0.64 0.05 0.00 0.52 0.00 0.00 54.79 54.82 1yuu n ASP 52 Cb 0.59 -5.04 0.37 0.00 -0.72 0.00 0.00 41.12 36.31 1yuu n ASP 52 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 53 N -1.86 1.06 -0.77 5.18 -1.51 -1.95 -2.79 116.25 113.61 1yuu h VAL 53 Ca -0.59 -0.25 0.07 0.00 -1.23 0.00 0.00 66.70 64.70 1yuu h VAL 53 Cb 1.34 0.28 -0.10 0.00 -2.13 0.00 0.00 31.29 30.68 1yuu h VAL 53 CO 0.50 0.13 -0.49 1.23 -1.23 0.00 0.00 177.57 177.72 1yuu h GLY 54 N 0.72 -1.16 -4.29 5.19 0.00 -1.96 -1.33 103.07 100.23 1yuu h GLY 54 Ca 0.26 0.85 -0.68 0.00 0.00 0.00 0.00 47.33 47.76 1yuu h GLY 54 CO -0.08 -0.15 0.62 1.44 0.00 0.00 0.00 176.54 178.38 1yuu n SER 55 N -4.88 7.13 -0.33 0.19 7.64 -1.18 -4.63 113.62 117.56 1yuu n SER 55 Ca 0.01 -3.79 0.21 0.00 1.01 0.00 0.00 58.87 56.30 1yuu n SER 55 Cb 0.22 -0.89 0.40 0.00 -1.01 0.00 0.00 64.21 62.93 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1yuu h LEU 56 N 2.34 -0.10 -0.97 -3.43 7.12 -0.96 -1.01 115.31 118.30 1yuu h LEU 56 Ca 0.55 0.26 0.38 0.00 0.13 0.00 0.00 57.88 59.19 1yuu h LEU 56 Cb 0.68 0.37 -0.18 0.00 -0.53 0.00 0.00 40.66 41.01 1yuu h LEU 56 CO 1.40 -0.35 0.41 0.47 -0.13 0.00 0.00 178.44 180.24 1yuu n ASP 57 N -5.36 0.24 0.22 1.25 9.92 -1.26 0.46 116.55 122.02 1yuu n ASP 57 Ca 0.28 1.62 -0.15 0.00 -0.53 0.00 0.00 54.79 56.01 1yuu n ASP 57 Cb 0.94 -0.74 -0.08 0.00 -0.64 0.00 0.00 41.12 40.60 1yuu n ASP 57 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1yuu h GLU 58 N 0.00 -0.52 -0.28 -1.24 4.57 -1.58 -1.47 114.58 114.07 1yuu h GLU 58 Ca 0.77 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 59.04 1yuu h GLU 58 Cb 1.96 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 30.61 1yuu h GLU 58 CO -0.78 -0.28 -0.09 0.87 -1.18 0.00 0.00 179.01 177.54 1yuu h LYS 59 N -0.64 -0.03 -0.33 1.92 1.79 -0.10 -2.59 116.57 116.58 1yuu h LYS 59 Ca -0.05 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.47 1yuu h LYS 59 Cb 0.47 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.04 1yuu h LYS 59 CO 0.09 -0.02 -0.48 1.98 -1.08 0.00 0.00 179.45 179.94 1yuu h MET 60 N -0.03 -0.39 -0.64 3.15 4.05 -0.50 0.27 114.93 120.83 1yuu h MET 60 Ca 0.14 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 1yuu h MET 60 Cb 0.24 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.09 1yuu h MET 60 CO -0.31 -0.26 0.42 1.57 0.23 0.00 0.00 176.91 178.57 1yuu h LYS 61 N -0.41 0.60 -0.06 0.39 2.10 -1.12 -0.86 116.57 117.21 1yuu h LYS 61 Ca 0.10 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1yuu h LYS 61 Cb 0.61 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1yuu h LYS 61 CO -0.54 0.40 -0.24 1.03 -2.00 0.00 0.00 179.45 178.10 1yuu h SER 62 N 0.62 0.31 -0.20 7.07 0.87 -0.46 -3.28 113.55 118.48 1yuu h SER 62 Ca 0.28 -0.64 0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1yuu h SER 62 Cb 0.30 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1yuu h SER 62 CO -0.09 0.90 0.10 -0.07 -0.53 0.00 0.00 176.83 177.15 1yuu h LEU 63 N -0.27 0.16 -8.04 2.23 4.07 -0.25 -3.37 115.31 109.83 1yuu h LEU 63 Ca -0.01 0.01 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 1yuu h LEU 63 Cb 0.89 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.56 1yuu h LEU 63 CO 0.05 0.12 1.10 -0.62 -1.08 0.00 0.00 178.44 178.01 1yuu s ASP 64 N -5.33 5.30 0.32 -0.43 2.15 -0.36 -4.81 116.67 113.51 1yuu s ASP 64 Ca -0.13 -1.45 0.10 0.00 0.43 0.00 0.00 52.55 51.49 1yuu s ASP 64 Cb 0.09 -2.58 0.93 0.00 -0.30 0.00 0.00 42.92 41.05 1yuu s ASP 64 CO 0.69 -2.74 1.68 -0.37 -0.17 0.00 0.00 175.17 174.26 1yuu h VAL 65 N 6.45 0.37 -0.00 1.11 -1.51 -1.82 0.29 116.25 121.13 1yuu h VAL 65 Ca 0.20 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1yuu h VAL 65 Cb 0.95 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1yuu h VAL 65 CO 1.25 0.06 -0.73 -0.46 -1.23 0.00 0.00 177.57 176.46 1yuu n ASN 66 N -5.06 0.96 -3.23 4.19 0.23 -1.26 -4.98 115.26 106.10 1yuu n ASN 66 Ca 0.27 -0.82 -0.23 0.00 -0.53 0.00 0.00 54.58 53.28 1yuu n ASN 66 Cb 0.84 0.65 0.01 0.00 -2.08 0.00 0.00 39.78 39.19 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1yuu n GLN 67 N -1.27 -3.91 0.20 -3.83 7.27 0.10 -4.84 117.38 111.09 1yuu n GLN 67 Ca 0.06 0.62 0.14 0.00 0.07 0.00 0.00 57.00 57.90 1yuu n GLN 67 Cb 0.35 -5.39 0.67 0.00 2.41 0.00 0.00 30.24 28.28 1yuu n GLN 67 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1yuu h ASP 68 N -1.11 0.00 0.00 1.69 3.04 -1.94 -3.46 116.42 114.64 1yuu h ASP 68 Ca -0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1yuu h ASP 68 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1yuu h ASP 68 CO 0.54 0.00 0.00 -1.20 -2.04 0.00 0.00 179.24 176.54 1yuu n SER 69 N -2.55 -2.44 -4.48 4.15 7.64 -1.26 -5.05 113.62 109.63 1yuu n SER 69 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1yuu n SER 69 Cb 0.17 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 62.84 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yuu s GLU 70 N -0.37 3.36 -0.54 1.43 2.02 -1.26 -4.60 118.70 118.73 1yuu s GLU 70 Ca 0.00 -0.58 -0.18 0.00 0.02 0.00 0.00 54.97 54.23 1yuu s GLU 70 Cb 0.00 -2.74 0.09 0.00 0.10 0.00 0.00 34.13 31.57 1yuu s GLU 70 CO 0.00 0.33 0.62 -0.51 0.02 0.00 0.00 175.26 175.73 1yuu s LEU 71 N 0.08 5.35 0.44 1.80 2.01 0.37 -4.93 118.68 123.81 1yuu s LEU 71 Ca -0.02 -1.28 0.08 0.00 0.01 0.00 0.00 54.13 52.92 1yuu s LEU 71 Cb -0.14 -2.33 0.02 0.00 0.01 0.00 0.00 46.19 43.75 1yuu s LEU 71 CO 0.03 -0.96 0.60 -1.59 1.01 0.00 0.00 176.35 175.44 1yuu s LYS 72 N 2.44 2.74 0.14 1.70 -2.85 -1.26 -0.86 119.74 121.80 1yuu s LYS 72 Ca 0.11 -1.31 -0.28 0.00 -1.00 0.00 0.00 55.97 53.49 1yuu s LYS 72 Cb -0.23 -2.74 -0.06 0.00 -2.06 0.00 0.00 37.83 32.74 1yuu s LYS 72 CO 0.08 -0.36 1.42 1.19 0.10 0.00 0.00 175.35 177.78 1yuu n PHE 73 N -1.91 -0.40 0.20 1.78 3.72 -1.26 -0.12 117.46 119.47 1yuu n PHE 73 Ca 0.09 1.13 0.06 0.00 -0.05 0.00 0.00 57.45 58.68 1yuu n PHE 73 Cb 0.59 -0.57 0.39 0.00 -0.94 0.00 0.00 39.48 38.96 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1yuu h ASN 74 N 0.00 0.00 0.26 4.37 -1.24 -1.98 0.21 115.58 117.20 1yuu h ASN 74 Ca 0.14 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 1yuu h ASN 74 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1yuu h ASN 74 CO -0.85 0.35 -0.13 -0.33 -1.29 0.00 0.00 177.43 175.18 1yuu h GLU 75 N 0.00 -0.34 -0.87 6.67 5.08 -0.87 -3.29 114.58 120.96 1yuu h GLU 75 Ca -0.00 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.55 1yuu h GLU 75 Cb 0.77 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.99 1yuu h GLU 75 CO 0.05 -0.06 0.43 -0.92 -1.00 0.00 0.00 179.01 177.50 1yuu h TYR 76 N -1.01 0.74 -1.00 4.33 3.20 -0.80 -1.78 116.97 120.66 1yuu h TYR 76 Ca -0.04 0.04 0.31 0.00 3.14 0.00 0.00 58.73 62.18 1yuu h TYR 76 Cb 0.43 -0.20 -0.18 0.00 1.54 0.00 0.00 36.73 38.32 1yuu h TYR 76 CO 0.04 0.11 0.16 2.35 -1.64 0.00 0.00 178.16 179.18 1yuu h TRP 77 N 0.56 0.18 -1.39 -3.82 7.01 -0.66 0.12 115.95 117.95 1yuu h TRP 77 Ca 0.50 0.06 0.42 0.00 2.11 0.00 0.00 58.89 61.98 1yuu h TRP 77 Cb 0.79 0.09 -0.10 0.00 -2.10 0.00 0.00 29.16 27.83 1yuu h TRP 77 CO -0.10 -0.45 0.94 0.00 -2.79 0.00 0.00 178.44 176.03 1yuu h ARG 78 N 0.00 0.09 -0.43 2.65 3.08 -1.46 0.42 114.38 118.74 1yuu h ARG 78 Ca 0.67 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.80 1yuu h ARG 78 Cb 1.52 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.47 1yuu h ARG 78 CO -0.89 0.06 -0.07 1.25 -1.07 0.00 0.00 179.97 179.25 1yuu h LEU 79 N 0.10 -0.33 -0.49 3.04 5.85 -0.98 0.15 115.31 122.64 1yuu h LEU 79 Ca 0.77 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 59.45 1yuu h LEU 79 Cb 2.61 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 43.88 1yuu h LEU 79 CO -0.26 -0.12 -0.56 0.40 -0.34 0.00 0.00 178.44 177.57 1yuu h ILE 80 N 0.03 1.32 -0.96 4.05 2.04 -0.39 0.31 117.51 123.91 1yuu h ILE 80 Ca 0.21 -1.80 0.12 0.00 1.00 0.00 0.00 64.86 64.38 1yuu h ILE 80 Cb 0.31 1.77 -0.14 0.00 -0.74 0.00 0.00 36.82 38.03 1yuu h ILE 80 CO -0.41 0.56 -0.46 0.61 0.00 0.00 0.00 178.15 178.45 1yuu n GLY 81 N 0.28 -2.21 0.10 5.37 0.00 -0.63 -1.94 105.19 106.15 1yuu n GLY 81 Ca -0.03 1.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.98 1yuu n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yuu h GLU 82 N 0.00 -0.11 -0.96 1.61 4.39 -0.60 -3.36 114.58 115.54 1yuu h GLU 82 Ca 0.25 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.09 1yuu h GLU 82 Cb 0.49 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.03 1yuu h GLU 82 CO -0.93 0.43 -0.44 -0.11 -1.16 0.00 0.00 179.01 176.80 1yuu n LEU 83 N -4.83 -0.76 0.04 1.33 7.94 0.11 0.82 117.00 121.65 1yuu n LEU 83 Ca -0.08 1.69 0.06 0.00 -1.11 0.00 0.00 56.01 56.57 1yuu n LEU 83 Cb 0.29 -0.33 0.47 0.00 0.53 0.00 0.00 43.42 44.39 1yuu n LEU 83 CO 0.27 -1.47 1.15 0.00 -1.11 0.00 0.00 177.39 176.23 1yuu h ALA 84 N 1.04 1.79 -0.08 1.96 0.00 -1.67 -1.71 119.26 120.60 1yuu h ALA 84 Ca 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1yuu h ALA 84 Cb 0.51 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yuu h ALA 84 CO -0.94 0.18 -0.40 -0.22 0.00 0.00 0.00 179.25 177.87 1yuu h LYS 85 N 0.44 0.42 0.00 0.00 3.64 0.26 -3.34 116.57 117.99 1yuu h LYS 85 Ca 0.13 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1yuu h LYS 85 Cb 0.01 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1yuu h LYS 85 CO -0.03 0.97 0.00 0.93 -2.27 0.00 0.00 179.45 179.05 1yuu h GLU 86 N -0.04 0.00 -0.71 1.90 4.39 0.44 0.24 114.58 120.79 1yuu h GLU 86 Ca -0.03 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1yuu h GLU 86 Cb 1.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1yuu h GLU 86 CO 0.08 0.00 0.47 0.97 -1.16 0.00 0.00 179.01 179.37 1yuu h ILE 87 N 0.00 1.11 0.00 3.13 2.10 -1.55 -3.25 117.51 119.06 1yuu h ILE 87 Ca 0.00 -0.30 -0.34 0.00 1.08 0.00 0.00 64.86 65.30 1yuu h ILE 87 Cb 0.30 0.16 -0.05 0.00 -1.09 0.00 0.00 36.82 36.14 1yuu h ILE 87 CO 0.00 0.16 -2.14 -1.14 -1.08 0.00 0.00 178.15 173.95 1yuu n ARG 88 N -4.45 0.57 -0.74 2.19 0.00 0.52 -4.26 116.66 110.49 1yuu n ARG 88 Ca 0.09 0.25 -0.25 0.00 -0.00 0.00 0.00 57.85 57.94 1yuu n ARG 88 Cb 0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.07 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1yuu n LYS 89 N -4.31 1.67 -0.20 -0.14 4.81 0.51 -4.69 118.16 115.82 1yuu n LYS 89 Ca -0.44 -1.43 -0.09 0.00 -0.87 0.00 0.00 58.31 55.48 1yuu n LYS 89 Cb 0.79 -2.51 0.02 0.00 0.02 0.00 0.00 35.03 33.35 1yuu n LYS 89 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yuu h LYS 90 N 6.94 1.02 0.00 1.64 3.11 -1.74 -3.40 116.57 124.15 1yuu h LYS 90 Ca 0.42 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1yuu h LYS 90 Cb 0.27 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1yuu h LYS 90 CO 1.53 1.01 0.00 1.17 -2.81 0.00 0.00 179.45 180.35 1yuu n LYS 91 N -4.22 0.00 -3.10 1.90 3.00 -1.26 -4.96 118.16 109.52 1yuu n LYS 91 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.12 1yuu n LYS 91 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.39 1yuu n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1yuu n ASP 92 N -0.82 -5.23 0.07 3.14 -0.08 -1.26 -4.81 116.55 107.56 1yuu n ASP 92 Ca 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1yuu n ASP 92 Cb 0.00 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.06 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1yuu n LEU 93 N 0.37 -1.33 0.00 -2.67 7.94 -1.26 -5.09 117.00 114.96 1yuu n LEU 93 Ca -0.05 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1yuu n LEU 93 Cb 0.55 1.50 0.00 0.00 0.53 0.00 0.00 43.42 46.00 1yuu n LEU 93 CO 0.30 0.06 0.00 0.29 -1.11 0.00 0.00 177.39 176.93 1yuu n LYS 94 N -2.95 0.39 -0.09 1.96 4.76 -1.26 -5.12 118.16 115.85 1yuu n LYS 94 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1yuu n LYS 94 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1yuu n LYS 94 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1yuu n ILE 95 N -1.58 0.00 -2.03 -0.18 -6.64 -1.26 -4.88 119.36 102.79 1yuu n ILE 95 Ca 0.00 -0.04 -0.02 0.00 -1.77 0.00 0.00 62.75 60.92 1yuu n ILE 95 Cb 0.00 -1.20 -0.02 0.00 -1.44 0.00 0.00 39.64 36.98 1yuu n ILE 95 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1yuu n ARG 96 N -1.63 -3.12 -2.76 6.28 5.12 -1.26 -4.66 116.66 114.63 1yuu n ARG 96 Ca 0.01 2.49 0.02 0.00 -1.93 0.00 0.00 57.85 58.44 1yuu n ARG 96 Cb 0.04 -3.41 0.01 0.00 -1.16 0.00 0.00 32.46 27.94 1yuu n ARG 96 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1yuu s LYS 97 N -0.95 0.13 0.00 5.56 1.02 -1.26 -4.48 119.74 119.76 1yuu s LYS 97 Ca -0.10 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1yuu s LYS 97 Cb 0.01 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1yuu s LYS 97 CO 0.27 -0.19 0.00 1.63 -0.92 0.00 0.00 175.35 176.14